ATOM 21
1 C1y C 27.5705 -18.7193
2 N1y N 27.5588 -20.1460
3 C5a C 26.3417 -17.9972
4 C1x C 28.8050 -18.0088
5 C1x C 28.7876 -20.8622
6 C1b C 26.3360 -20.8215
7 N1b N 25.1188 -18.7193
8 O5a O 26.3301 -16.9197
9 C1x C 30.0338 -18.7367
10 C1x C 30.0280 -20.1577
11 C1b C 25.1362 -20.1168
12 C8y C 23.8843 -18.0029
13 C1b C 23.9191 -20.8040
14 C8y C 22.6556 -18.7250
15 C8y C 23.8843 -16.5819
16 C1a C 23.9075 -22.2016
17 C8x C 21.4209 -18.0029
18 C1a C 22.7136 -20.0937
19 C8x C 22.6556 -15.8774
20 C1a C 25.1072 -15.8774
21 C8x C 21.4209 -16.5819
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 11 13 1
13 12 14 2
14 12 15 1
15 13 16 1
16 14 17 1
17 14 18 1
18 15 19 2
19 15 20 1
20 17 21 2
21 9 10 1
22 19 21 1
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